2-(2,5-dimethylphenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone

C16H24N2O — CID 63909024

IUPAC2-(2,5-dimethylphenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone
SMILESCc1ccc(C)c(CC(=O)N2C(C)CNCC2C)c1
InChIInChI=1S/C16H24N2O/c1-11-5-6-12(2)15(7-11)8-16(19)18-13(3)9-17-10-14(18)4/h5-7,13-14,17H,8-10H2,1-4H3
InChIKeyUHEPBNCXWNCHMU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.05
Rot. Bonds2

About 2-(2,5-dimethylphenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone

2-(2,5-dimethylphenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone (PubChem CID 63909024) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone
PubChem CID63909024
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(2,5-dimethylphenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone
SMILESCc1ccc(C)c(CC(=O)N2C(C)CNCC2C)c1
InChIInChI=1S/C16H24N2O/c1-11-5-6-12(2)15(7-11)8-16(19)18-13(3)9-17-10-14(18)4/h5-7,13-14,17H,8-10H2,1-4H3
InChIKeyUHEPBNCXWNCHMU-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone (CID 63909024) is 2-(2,5-dimethylphenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone is Cc1ccc(C)c(CC(=O)N2C(C)CNCC2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone?
The InChIKey is UHEPBNCXWNCHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-5-6-12(2)15(7-11)8-16(19)18-13(3)9-17-10-14(18)4/h5-7,13-14,17H,8-10H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone?
2-(2,5-dimethylphenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 63909024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).